input word = C00005979

Metabolite InformationStructural formula
Name Quercetin 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Formula C42H46O23
Mw 918.24298778
CAS RN 142997-33-9
C_ID C00005979 ,
InChIKey SENXSEXWQKRDKG-LPNFJFDENA-N
InChICode InChI=1S/C42H46O23/c1-15-28(49)34(55)39(42(59-15)64-38-31(52)27-22(47)11-18(44)12-23(27)61-37(38)17-5-8-20(45)21(46)10-17)65-41-36(57)33(54)30(51)25(63-41)14-58-26(48)9-4-16-2-6-19(7-3-16)60-40-35(56)32(53)29(50)24(13-43)62-40/h2-12,15,24-25,28-30,32-36,39-47,49-51,53-57H,13-14H2,1H3/b9-4+/t15-,24-,25-,28+,29-,30-,32+,33-,34+,35-,36-,39+,40-,41+,42+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)C)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGinkgoaceaeGinkgo biloba Ref.
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